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SCHEMBL4591473

SCHEMBL4591473

CCOC(=O)COc1cc(OC)cc(C(=O)N(Cc2cc(OCC)c(-c3ccc(F)cc3)c(OCC)c2)C2CCNCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 6/20 0.41
▸ SSTR5 P35346 8/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ HTR2A P28223 2/20 0.37
▸ NSD2 O96028 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4592104 0.92 SSTR5 (0.42) TACR1SSTR5KCNH2HTR2A
SCHEMBL4629774 0.87 SSTR5 (0.40) TACR1SSTR5KCNH2HTR2ANSD2
SCHEMBL4591887 0.86 TACR1 (0.45) TACR1KCNH2HTR2A
SCHEMBL4591832 0.79 HTR2A (0.40) TACR1KCNH2HTR2A
SCHEMBL4591930 0.79 POLB (0.42) TACR1SSTR5KCNH2HTR2A
SCHEMBL4591860 0.78 TACR1 (0.45) TACR1KCNH2
SCHEMBL4591515 0.77 REN (0.39) TACR1KCNH2HTR2A
SCHEMBL4591095 0.77 TACR1 (0.37) TACR1KCNH2HTR2A
SCHEMBL4591464 0.76 REN (0.38) TACR1KCNH2HTR2A
SCHEMBL4591939 0.76 SLC6A4 (0.38) TACR1KCNH2HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893603-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2008-03-05 — — EP disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 — — WO disclosed